2-[3-nitro-4-(trifluoromethylsulfonyloxy)phenyl]ethanoic acid

Systemtic Name: 2-[3-nitro-4-(trifluoromethylsulfonyloxy)phenyl]ethanoic acid Openeye Name: 2-[3-nitro-4-(trifluoromethylsulfonyloxy)phenyl]acetic acid CAS Name: 2-[3-nitro-4-(trifluoromethylsulfonyloxy)phenyl]acetic acid IUPAC Name: 2-[3-nitro-4-(trifluoromethylsulfonyloxy)phenyl]acetic acid Traditional Name: 2-(3-nitro-4-triflyloxy-phenyl)acetic acid Formula: C9H6F3NO7S MolecularWeight: 329.20665

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1CC(=O)O)[N+](=O)[O-])OS(=O)(=O)C(F)(F)F

Isomeric SMILES

C1=CC(=C(C=C1CC(=O)O)[N+](=O)[O-])OS(=O)(=O)C(F)(F)F

InChI

InChI=1S/C9H6F3NO7S/c10-9(11,12)21(18,19)20-7-2-1-5(4-8(14)15)3-6(7)13(16)17/h1-3H,4H2,(H,14,15)